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AN MCSCF STUDY OF THE LOW-LYING STATES OF TRANS-BUTADIENE
被引:94
作者
:
AOYAGI, M
论文数:
0
引用数:
0
h-index:
0
AOYAGI, M
OSAMURA, Y
论文数:
0
引用数:
0
h-index:
0
OSAMURA, Y
IWATA, S
论文数:
0
引用数:
0
h-index:
0
IWATA, S
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1985年
/ 83卷
/ 03期
关键词
:
D O I
:
10.1063/1.449477
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:1140 / 1148
页数:9
相关论文
共 25 条
[21]
PHOTOISOMERIZATION OF POLYENES - POTENTIAL-ENERGY SURFACES AND NORMAL MODE ANALYSIS
OHMINE, I
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0
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INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
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INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
MOROKUMA, K
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(04)
: 1907
-
1917
[22]
Pulay P., 1977, APPL ELECT STRUCTURE, P153
[23]
ROOS BO, 1980, CHEM PHYS, V48, P158
[24]
CORRELATION EFFECTS IN SPECTRA OF POLYENES
SCHULTEN, K
论文数:
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0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
SCHULTEN, K
OHMINE, I
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0
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0
h-index:
0
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HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
OHMINE, I
KARPLUS, M
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0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(11)
: 4422
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4441
[25]
A SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SETS .3. 2ND-ROW ATOMS FROM LI THROUGH NE
TATEWAKI, H
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机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
TATEWAKI, H
HUZINAGA, S
论文数:
0
引用数:
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h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
HUZINAGA, S
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1980,
1
(03)
: 205
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228
←
1
2
3
→
共 25 条
[21]
PHOTOISOMERIZATION OF POLYENES - POTENTIAL-ENERGY SURFACES AND NORMAL MODE ANALYSIS
OHMINE, I
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
OHMINE, I
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
MOROKUMA, K
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(04)
: 1907
-
1917
[22]
Pulay P., 1977, APPL ELECT STRUCTURE, P153
[23]
ROOS BO, 1980, CHEM PHYS, V48, P158
[24]
CORRELATION EFFECTS IN SPECTRA OF POLYENES
SCHULTEN, K
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
SCHULTEN, K
OHMINE, I
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
OHMINE, I
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(11)
: 4422
-
4441
[25]
A SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SETS .3. 2ND-ROW ATOMS FROM LI THROUGH NE
TATEWAKI, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
TATEWAKI, H
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2G2,ALBERTA,CANADA
HUZINAGA, S
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1980,
1
(03)
: 205
-
228
←
1
2
3
→